3-Chloro-2-nitropyridine - ≥98%(GC) , CAS No.54231-32-2

CAS: 54231-32-2 Cat. No.: C135970 Fórmula: C₅H₃ClN₂O₂ Peso molecular: 158.54 Beilstein Registry Number: 20(5)5,451 Número EC: 678-886-9

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00490110 | AKOS005145875 | SY020023 | BCP22980 | DTXSID50339256 | 3-Chloro-2-nitro pyridine | A7886 | chloronitropyridine | chloro-nitropyridine | C1765 | AMY5181 | FT-0615360 | 3-Chloro-2-nitropyridine | 3-chloro-2-nitro-pyridine | Pyridine, 3-chloro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00490110 | AKOS005145875 | SY020023 | BCP22980 | DTXSID50339256 | 3-Chloro-2-nitro pyridine | A7886 | chloronitropyridine | chloro-nitropyridine | C1765 | AMY5181 | FT-0615360 | 3-Chloro-2-nitropyridine | 3-chloro-2-nitro-pyridine | Pyridine, 3-chloro

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488190272

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190272

Sonrisas canónicas

C1=CC(=C(N=C1)[N+](=O)[O-])Cl

IUPAC Name

3-chloro-2-nitropyridine

InChIKey

PSGASDJUCYTRAD-UHFFFAOYSA-N

INCHI

1S/C5H3ClN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H

Isómeros SMILES

C1=CC(=C(N=C1)[N+](=O)[O-])Cl

Peso molecular

158.54

Beilstein

20(5)5,451

Reaxy-Rn

1637069

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1637069&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 89-92°C
• Peso molecular: 158.540 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.988 Da
• Monoisotopic Mass: 157.988 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1